SpectraBase Compound ID | 4UJQ1YWcfik |
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InChI | InChI=1S/C27H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-30-25(28)27(4,5)26(29)31-23-20-21-24(2)3/h24H,6-23H2,1-5H3 |
InChIKey | GGPXTOLHYAPVLH-UHFFFAOYSA-N |
Mol Weight | 440.7 g/mol |
Molecular Formula | C27H52O4 |
Exact Mass | 440.38656 g/mol |
SpectraBase Spectrum ID | CGFIzH0IDWG |
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Name | Dimethylmalonic acid, hexadecyl isohexyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 440.386560150 u |
Formula | C27H52O4 |
InChI | InChI=1S/C27H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-30-25(28)27(4,5)26(29)31-23-20-21-24(2)3/h24H,6-23H2,1-5H3 |
InChIKey | GGPXTOLHYAPVLH-UHFFFAOYSA-N |
Molecular Weight | 440.709 g/mol |
SMILES | CCCCCCCCCCCCCCCCOC(C(C(=O)OCCCC(C)C)(C)C)=O |